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Matched Series for SAR Analysis

Feb 17, 2016

Matched Series for SAR Analysis

Feb 17, 2016

This worked example considers a publically available set of PPARγ pIC50 data which contains a number of chemical series. Matched Series Analysis is used to identify when a substitution from one series has a high likelihood of improving the binding of another series at PPARγ. This approach is then further applied to help analyse the project’s SAR to generate hypotheses regarding binding modes and identify possible anomalous measurements for further investigation.

To try this example yourself, download the project file and follow the step-by-step guidelines in this PDF.

Please note that the tutorial uses StarDrop’s Nova module. If you don’t have access to StarDrop or Nova and would like to arrange a free trial license, please email us at [email protected]

Please note that this video was recorded with an earlier version of StarDrop, so there may be small differences in appearance, however the process demonstrated is unchanged.

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